BAS 00620071
TL;DR: BAS 00620071 (CAS 331841-46-4) is a chemical compound with molecular formula C16H16Cl2N4O3S and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00620071, 7-(2-chlorobenzyl)-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H16Cl2N4O3S |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 1.8168 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.032 |
| Heavy Atoms | 26 |
| Complexity | 1059.8099 |
Chemical Identifiers
| CAS Number | 331841-46-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC3=CC=CC=C3Cl |
Product Overview
BAS 00620071 (CAS 331841-46-4), with molecular formula C16H16Cl2N4O3S and molecular weight 414.03 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00620071
Property Insights of BAS 00620071
The XLogP value of 1.8168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00620071. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620071. Following Lipinski's Rule of Five, BAS 00620071 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00620071?
The CAS number of BAS 00620071 is 331841-46-4.
What is the molecular formula of BAS 00620071?
The molecular formula of BAS 00620071 is C16H16Cl2N4O3S.
What is the molecular weight of BAS 00620071?
The molecular weight of BAS 00620071 is 414.03 g/mol.
Where can I buy BAS 00620071?
You can request a quote for BAS 00620071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620071?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.